(2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-hydroxypropan-2-yloxy)propanal

C16H28O7 — CID 169110032

IUPAC(2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-hydroxypropan-2-yloxy)propanal
SMILESCC(C)(O)O[C@@H](C=O)C[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H28O7/c1-14(2,18)20-10(8-17)7-11-13(23-16(5,6)21-11)12-9-19-15(3,4)22-12/h8,10-13,18H,7,9H2,1-6H3/t10-,11-,12-,13+/m1/s1
InChIKeyWHYQFYIUWUPSRK-LPWJVIDDSA-N
MW332.39 g/mol
LogP1.36
Rot. Bonds6

About (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-hydroxypropan-2-yloxy)propanal

(2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-hydroxypropan-2-yloxy)propanal (PubChem CID 169110032) has the molecular formula C16H28O7 and a molecular weight of 332.39 g/mol. Its IUPAC name is (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-hydroxypropan-2-yloxy)propanal.

Molecular Properties

Compound Name(2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-hydroxypropan-2-yloxy)propanal
PubChem CID169110032
Molecular FormulaC16H28O7
Molecular Weight332.39 g/mol
Exact Mass332.18
IUPAC Name(2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-hydroxypropan-2-yloxy)propanal
SMILESCC(C)(O)O[C@@H](C=O)C[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H28O7/c1-14(2,18)20-10(8-17)7-11-13(23-16(5,6)21-11)12-9-19-15(3,4)22-12/h8,10-13,18H,7,9H2,1-6H3/t10-,11-,12-,13+/m1/s1
InChIKeyWHYQFYIUWUPSRK-LPWJVIDDSA-N
XLogP1.36
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-hydroxypropan-2-yloxy)propanal with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-hydroxypropan-2-yloxy)propanal?
The IUPAC name of (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-hydroxypropan-2-yloxy)propanal (CID 169110032) is (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-hydroxypropan-2-yloxy)propanal.
What is the SMILES notation for (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-hydroxypropan-2-yloxy)propanal?
The canonical SMILES for (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-hydroxypropan-2-yloxy)propanal is CC(C)(O)O[C@@H](C=O)C[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-hydroxypropan-2-yloxy)propanal?
The InChIKey is WHYQFYIUWUPSRK-LPWJVIDDSA-N. The full InChI is InChI=1S/C16H28O7/c1-14(2,18)20-10(8-17)7-11-13(23-16(5,6)21-11)12-9-19-15(3,4)22-12/h8,10-13,18H,7,9H2,1-6H3/t10-,11-,12-,13+/m1/s1.
What are the key properties of (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-hydroxypropan-2-yloxy)propanal?
(2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-hydroxypropan-2-yloxy)propanal has a molecular weight of 332.39 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-hydroxypropan-2-yloxy)propanal is sourced from PubChem (CID 169110032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).